Geometry & MOs

Info

ID:

435427

PubChem CID:

135191447

Reduced:

SO8C23H42 (1)

Stoich.:

AB8C23D42 (1)

Weight, g/mol:

468.253669

ΔHf, kcal/mol:

-404.92

Dipole, Da:

2.35

IP(EA), eV:

 -8.7(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@@H](CC(O1)O[C@@H]2C[C@H]([C@@H]([C@H](O2)CSCCCC(CCCCO)C(=O)C)O)O)O

DOS

IR

Vibrations